2-[1-fluoro-2-(iodoamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine

C14H12F2IN5O — CID 154932062

IUPAC2-[1-fluoro-2-(iodoamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
SMILESFc1cccnc1CNc1nccc2oc(C(F)CNI)nc12
InChIInChI=1S/C14H12F2IN5O/c15-8-2-1-4-18-10(8)7-20-13-12-11(3-5-19-13)23-14(22-12)9(16)6-21-17/h1-5,9,21H,6-7H2,(H,19,20)
InChIKeyFJACIDMHPRMTKV-UHFFFAOYSA-N
MW431.18 g/mol
LogP3.32
Rot. Bonds6

About 2-[1-fluoro-2-(iodoamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine

2-[1-fluoro-2-(iodoamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine (PubChem CID 154932062) has the molecular formula C14H12F2IN5O and a molecular weight of 431.18 g/mol. Its IUPAC name is 2-[1-fluoro-2-(iodoamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name2-[1-fluoro-2-(iodoamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
PubChem CID154932062
Molecular FormulaC14H12F2IN5O
Molecular Weight431.18 g/mol
Exact Mass431.01
IUPAC Name2-[1-fluoro-2-(iodoamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
SMILESFc1cccnc1CNc1nccc2oc(C(F)CNI)nc12
InChIInChI=1S/C14H12F2IN5O/c15-8-2-1-4-18-10(8)7-20-13-12-11(3-5-19-13)23-14(22-12)9(16)6-21-17/h1-5,9,21H,6-7H2,(H,19,20)
InChIKeyFJACIDMHPRMTKV-UHFFFAOYSA-N
XLogP3.32
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.18
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-fluoro-2-(iodoamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 2-[1-fluoro-2-(iodoamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine (CID 154932062) is 2-[1-fluoro-2-(iodoamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 2-[1-fluoro-2-(iodoamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 2-[1-fluoro-2-(iodoamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine is Fc1cccnc1CNc1nccc2oc(C(F)CNI)nc12.
What is the InChIKey of 2-[1-fluoro-2-(iodoamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The InChIKey is FJACIDMHPRMTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2IN5O/c15-8-2-1-4-18-10(8)7-20-13-12-11(3-5-19-13)23-14(22-12)9(16)6-21-17/h1-5,9,21H,6-7H2,(H,19,20).
What are the key properties of 2-[1-fluoro-2-(iodoamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
2-[1-fluoro-2-(iodoamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine has a molecular weight of 431.18 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-fluoro-2-(iodoamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 154932062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).